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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Predicted data
Title:
R: QSAR Toolbox 2.3.0.1132 prediction for LD50 read across evaluation for 82104-74-3
Author:
Sustainibility Support Service (Europe) AB
Year:
2012
Bibliographic source:
QSAR Toolbox version 2.3

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 401 (Acute Oral Toxicity)
GLP compliance:
not specified
Test type:
standard acute method

Test material

Constituent 1
Chemical structure
Reference substance name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
EC Number:
279-900-2
EC Name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
Cas Number:
82104-74-3
Molecular formula:
C9H5NO2
IUPAC Name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
Constituent 2
Reference substance name:
1,3-dihydro-1-oxo1sobenzofurane-5carbonitrile
IUPAC Name:
1,3-dihydro-1-oxo1sobenzofurane-5carbonitrile
Details on test material:
- Name of test material: 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
- Molecular formula: C9H5NO2
- Substance type: Organic
- Physical state: Solid
- SMILES:C1(=O)c2c(cc(C#N)cc2)CO1

Test animals

Species:
other: Rattus norvegicus
Sex:
male/female

Administration / exposure

Route of administration:
oral: unspecified
Vehicle:
not specified
Control animals:
not specified

Results and discussion

Effect levels
Sex:
male/female
Dose descriptor:
LD50
Effect level:
2 172.98 mg/kg bw
Based on:
test mat.

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

("a" and ("b" and "c" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C1(=O)c2c(cc(C#N)cc2)CO1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.244

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.719

Applicant's summary and conclusion

Interpretation of results:
not classified
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
Acute oral toxicity (LD50 value) of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was examined for 6 hours in male/female Rattus norvegicus species at the dose concentration of 2172.98 mg/kg. This value suggest that the chemical 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile is non toxic to organism Rattus norvegicus by oral route.
Executive summary:

Acute oral toxicity (LD50 value) of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was examined for 6 hours in male/female Rattus norvegicus species at the dose concentration of 2172.98 mg/kg. This value suggest that the chemical 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile is non toxic to organism Rattus norvegicus by oral route.